3-(1-amino-2-methylpropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione

C10H18N4S — CID 82391463

IUPAC3-(1-amino-2-methylpropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione
SMILESCC(C)(CN)n1c2c([nH]c1=S)CCNC2
InChIInChI=1S/C10H18N4S/c1-10(2,6-11)14-8-5-12-4-3-7(8)13-9(14)15/h12H,3-6,11H2,1-2H3,(H,13,15)
InChIKeySONMYFSGROTZHQ-UHFFFAOYSA-N
MW226.35 g/mol
LogP0.89
Rot. Bonds2

About 3-(1-amino-2-methylpropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione

3-(1-amino-2-methylpropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 82391463) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 3-(1-amino-2-methylpropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name3-(1-amino-2-methylpropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione
PubChem CID82391463
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name3-(1-amino-2-methylpropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione
SMILESCC(C)(CN)n1c2c([nH]c1=S)CCNC2
InChIInChI=1S/C10H18N4S/c1-10(2,6-11)14-8-5-12-4-3-7(8)13-9(14)15/h12H,3-6,11H2,1-2H3,(H,13,15)
InChIKeySONMYFSGROTZHQ-UHFFFAOYSA-N
XLogP0.89
TPSA58.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-methylpropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 3-(1-amino-2-methylpropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione (CID 82391463) is 3-(1-amino-2-methylpropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 3-(1-amino-2-methylpropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 3-(1-amino-2-methylpropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione is CC(C)(CN)n1c2c([nH]c1=S)CCNC2.
What is the InChIKey of 3-(1-amino-2-methylpropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is SONMYFSGROTZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-10(2,6-11)14-8-5-12-4-3-7(8)13-9(14)15/h12H,3-6,11H2,1-2H3,(H,13,15).
What are the key properties of 3-(1-amino-2-methylpropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione?
3-(1-amino-2-methylpropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 226.35 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-methylpropan-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 82391463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).